Basic information
- CAS
32469-90-2- Standard SMILES
COC1CC(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C(C)O1- InChIKey
POHNKSHNRFOJER-UHFFFAOYSA-N- Molecular formula
- C21H22O6
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.14163842
Names & identifiers
- Preferred name
- Methyl 3,4-di-O-benzoyl-2,6-dideoxyhexopyranoside
- IUPAC
- (3-benzoyloxy-6-methoxy-2-methyloxan-4-yl) benzoate
Names & synonyms
32469-90-2NSC287055Methyl 3,4-di-O-benzoyl-2,6-dideoxyhexopyranosideCHEMBL1985884DTXSID60954217NSC278777NSC-278777NSC-28705564429-65-8NCI60_002353
Database identifiers
- CAS
32469-90-2、64429-65-8- PubChem CID
- 322259
- DTXSID
DTXSID60954217- ChEMBL
CHEMBL1985884
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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